SCHEMBL3560767

SCHEMBL3560767

CCC1(C(=O)OCc2ccccc2)CCN(C(N)=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27527945 0.87 LMNA (0.46) ALDH1A1MEN1KMT2ALMNA
SCHEMBL22014538 0.85 OPRM1 (0.52) ALDH1A1MEN1KMT2ALMNA
SCHEMBL11368685 0.85 ALDH1A1 (0.53) ALDH1A1KMT2A
SCHEMBL3556103 0.84 CYP2C19 (0.47) ALDH1A1MEN1KMT2ACYP2C19SMN1; SMN2
SCHEMBL22014536 0.83 TACR1 (0.48) ALDH1A1MEN1KMT2ANPSR1
SCHEMBL3563828 0.81 MEN1 (0.56) MEN1KMT2ANPSR1
SCHEMBL22014537 0.79 OPRM1 (0.51) ALDH1A1
SCHEMBL28893494 0.78 MEN1 (0.50) ALDH1A1MEN1KMT2ACYP2C19SMN1; SMN2
SCHEMBL21963898 0.78 DDB1 (0.43) MEN1KMT2ALMNA
SCHEMBL16875463 0.76 SMN1; SMN2 (0.52) ALDH1A1CYP2C19SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 ALDH1A1 2078/4885MEN1 1845/4885KMT2A 3265/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.